NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id bmrb_id cing stage position program type subtype subsubtype
569379 2m39 18950 cing 1-original 1 AMBER distance NOE simple


#
# NOE distance restraints
#
# 1  C5L  H1'       1  C5L  H2'         2.314    3.471 
 &rst
  ixpk= 0, nxpk= 0, iat=  10,  29, r1= 1.81, r2= 2.31, r3= 3.47, r4= 3.97,
  rk2=50.0, rk3=50.0, ir6=1, ialtd=0,  &end
#
# 13  C5L  H1'       13  C5L  H2'         2.314    3.471 
 &rst
  ixpk= 0, nxpk= 0, iat= 522, 541, r1= 1.81, r2= 2.31, r3= 3.47, r4= 3.97,  &end
#
# 1  C5L  H2'       2  G48   H8          2.191    3.286 
 &rst
  ixpk= 0, nxpk= 0, iat=  29,  57, r1= 1.69, r2= 2.19, r3= 3.29, r4= 3.79,  &end
#
# 13  C5L  H2'       14  G48   H8          2.191    3.286 
 &rst
  ixpk= 0, nxpk= 0, iat= 541, 569, r1= 1.69, r2= 2.19, r3= 3.29, r4= 3.79,  &end
#
# 1  C5L  H6        1  C5L  H1'         2.812    4.218 
 &rst
  ixpk= 0, nxpk= 0, iat=  13,  10, r1= 2.31, r2= 2.81, r3= 4.22, r4= 4.72,  &end
#
# 13  C5L  H6        13  C5L  H1'         2.812    4.218 
 &rst
  ixpk= 0, nxpk= 0, iat= 525, 522, r1= 2.31, r2= 2.81, r3= 4.22, r4= 4.72,  &end
#
# 1  C5L  H6        1  C5L  H2'         2.679    4.019 
 &rst
  ixpk= 0, nxpk= 0, iat=  13,  29, r1= 2.18, r2= 2.68, r3= 4.02, r4= 4.52,  &end
#
# 13  C5L  H6        13  C5L  H2'         2.679    4.019 
 &rst
  ixpk= 0, nxpk= 0, iat= 525, 541, r1= 2.18, r2= 2.68, r3= 4.02, r4= 4.52,  &end
#
# 1  C5L  H6        1  C5L  H3'         2.287    3.430 
 &rst
  ixpk= 0, nxpk= 0, iat=  13,  27, r1= 1.79, r2= 2.29, r3= 3.43, r4= 3.93,  &end
#
# 13  C5L  H6        13  C5L  H3'         2.287    3.430 
 &rst
  ixpk= 0, nxpk= 0, iat= 525, 539, r1= 1.79, r2= 2.29, r3= 3.43, r4= 3.93,  &end
#
# 1  C5L  H6        1  C5L  H7*         2.146    3.218 
 &rst
  ixpk= 0, nxpk= 0, iat=  13,  -1, r1= 1.65, r2= 2.15, r3= 3.22, r4= 3.72,
 igr2=  16,  17,  18,
 &end
#
# 13  C5L  H6        13  C5L  H7*         2.146    3.218 
 &rst
  ixpk= 0, nxpk= 0, iat= 525,  -1, r1= 1.65, r2= 2.15, r3= 3.22, r4= 3.72,
 igr2= 528, 529, 530,
 &end
#
# 1  C5L  H6        2  G48   H8          3.569    5.353 
 &rst
  ixpk= 0, nxpk= 0, iat=  13,  57, r1= 3.07, r2= 3.57, r3= 5.35, r4= 5.85,  &end
#
# 13  C5L  H6        14  G48   H8          3.569    5.353 
 &rst
  ixpk= 0, nxpk= 0, iat= 525, 569, r1= 3.07, r2= 3.57, r3= 5.35, r4= 5.85,  &end
#
# 2  G48   H1'       1  C5L  H1'         3.638    5.457 
 &rst
  ixpk= 0, nxpk= 0, iat=  54,  10, r1= 3.14, r2= 3.64, r3= 5.46, r4= 5.96,  &end
#
# 14  G48   H1'       13  C5L  H1'         3.638    5.457 
 &rst
  ixpk= 0, nxpk= 0, iat= 566, 522, r1= 3.14, r2= 3.64, r3= 5.46, r4= 5.96,  &end
#
# 2  G48   H1'       2  G48   H2'         2.251    3.376 
 &rst
  ixpk= 0, nxpk= 0, iat=  54,  73, r1= 1.75, r2= 2.25, r3= 3.38, r4= 3.88,  &end
#
# 14  G48   H1'       14  G48   H2'         2.251    3.376 
 &rst
  ixpk= 0, nxpk= 0, iat= 566, 585, r1= 1.75, r2= 2.25, r3= 3.38, r4= 3.88,  &end
#
# 2  G48   H1'       3  C5L   H6          3.304    4.956 
 &rst
  ixpk= 0, nxpk= 0, iat=  54, 101, r1= 2.80, r2= 3.30, r3= 4.96, r4= 5.46,  &end
#
# 14  G48   H1'       15  C5L   H6          3.304    4.956 
 &rst
  ixpk= 0, nxpk= 0, iat= 566, 613, r1= 2.80, r2= 3.30, r3= 4.96, r4= 5.46,  &end
#
# 2  G48   H1'       3  C5L   H7*         3.681    5.521 
 &rst
  ixpk= 0, nxpk= 0, iat=  54,  -1, r1= 3.18, r2= 3.68, r3= 5.52, r4= 6.02,
 igr2= 104, 105, 106,
 &end
#
# 14  G48   H1'       15  C5L   H7*         3.681    5.521 
 &rst
  ixpk= 0, nxpk= 0, iat= 566,  -1, r1= 3.18, r2= 3.68, r3= 5.52, r4= 6.02,
 igr2= 616, 617, 618,
 &end
#
# 2  G48   H1'       3  G48   H1'         4.116    6.000 
 &rst
  ixpk= 0, nxpk= 0, iat=  54,  98, r1= 3.62, r2= 4.12, r3= 6.00, r4= 6.50,  &end
#
# 14  G48   H1'       15  G48   H1'         4.116    6.000 
 &rst
  ixpk= 0, nxpk= 0, iat= 566, 610, r1= 3.62, r2= 4.12, r3= 6.00, r4= 6.50,  &end
#
# 2  G48   H2'       3  C5L   H6          2.018    3.027 
 &rst
  ixpk= 0, nxpk= 0, iat=  73, 101, r1= 1.52, r2= 2.02, r3= 3.03, r4= 3.53,  &end
#
# 14  G48   H2'       15  C5L   H6          2.018    3.027 
 &rst
  ixpk= 0, nxpk= 0, iat= 585, 613, r1= 1.52, r2= 2.02, r3= 3.03, r4= 3.53,  &end
#
# 2  G48   H2'       3  C5L   H7*         2.536    3.804 
 &rst
  ixpk= 0, nxpk= 0, iat=  73,  -1, r1= 2.04, r2= 2.54, r3= 3.80, r4= 4.30,
 igr2= 104, 105, 106,
 &end
#
# 14  G48   H2'       15  C5L   H7*         2.536    3.804 
 &rst
  ixpk= 0, nxpk= 0, iat= 585,  -1, r1= 2.04, r2= 2.54, r3= 3.80, r4= 4.30,
 igr2= 616, 617, 618,
 &end
#
# 2  G48   H3'       3  C5L   H7*         2.368    3.553 
 &rst
  ixpk= 0, nxpk= 0, iat=  71,  -1, r1= 1.87, r2= 2.37, r3= 3.55, r4= 4.05,
 igr2= 104, 105, 106,
 &end
#
# 14  G48   H3'       15  C5L   H7*         2.368    3.553 
 &rst
  ixpk= 0, nxpk= 0, iat= 583,  -1, r1= 1.87, r2= 2.37, r3= 3.55, r4= 4.05,
 igr2= 616, 617, 618,
 &end
#
# 2  G48   H8        1  C5L  H1'         3.284    4.926 
 &rst
  ixpk= 0, nxpk= 0, iat=  57,  10, r1= 2.78, r2= 3.28, r3= 4.93, r4= 5.43,  &end
#
# 14  G48   H8        13  C5L  H1'         3.284    4.926 
 &rst
  ixpk= 0, nxpk= 0, iat= 569, 522, r1= 2.78, r2= 3.28, r3= 4.93, r4= 5.43,  &end
#
# 2  G48   H8        1  C5L  H7*         3.851    5.776 
 &rst
  ixpk= 0, nxpk= 0, iat=  57,  -1, r1= 3.35, r2= 3.85, r3= 5.78, r4= 6.28,
 igr2=  16,  17,  18,
 &end
#
# 14  G48   H8        13  C5L  H7*         3.851    5.776 
 &rst
  ixpk= 0, nxpk= 0, iat= 569,  -1, r1= 3.35, r2= 3.85, r3= 5.78, r4= 6.28,
 igr2= 528, 529, 530,
 &end
#
# 2  G48   H8        2  G48   H1'         3.172    4.758 
 &rst
  ixpk= 0, nxpk= 0, iat=  57,  54, r1= 2.67, r2= 3.17, r3= 4.76, r4= 5.26,  &end
#
# 14  G48   H8        14  G48   H1'         3.172    4.758 
 &rst
  ixpk= 0, nxpk= 0, iat= 569, 566, r1= 2.67, r2= 3.17, r3= 4.76, r4= 5.26,  &end
#
# 2  G48   H8        3  C5L   H7*         2.894    4.341 
 &rst
  ixpk= 0, nxpk= 0, iat=  57,  -1, r1= 2.39, r2= 2.89, r3= 4.34, r4= 4.84,
 igr2= 104, 105, 106,
 &end
#
# 14  G48   H8        15  C5L   H7*         2.894    4.341 
 &rst
  ixpk= 0, nxpk= 0, iat= 569,  -1, r1= 2.39, r2= 2.89, r3= 4.34, r4= 4.84,
 igr2= 616, 617, 618,
 &end
#
# 3  C5L   H1'       3  C5L   H2'         2.153    3.230 
 &rst
  ixpk= 0, nxpk= 0, iat=  98, 117, r1= 1.65, r2= 2.15, r3= 3.23, r4= 3.73,  &end
#
# 15  C5L   H1'       15  C5L   H2'         2.153    3.230 
 &rst
  ixpk= 0, nxpk= 0, iat= 610, 629, r1= 1.65, r2= 2.15, r3= 3.23, r4= 3.73,  &end
#
# 3  C5L   H6        3  C5L   H1'         2.882    4.324 
 &rst
  ixpk= 0, nxpk= 0, iat= 101,  98, r1= 2.38, r2= 2.88, r3= 4.32, r4= 4.82,  &end
#
# 15  C5L   H6        15  C5L   H1'         2.882    4.324 
 &rst
  ixpk= 0, nxpk= 0, iat= 613, 610, r1= 2.38, r2= 2.88, r3= 4.32, r4= 4.82,  &end
#
# 3  C5L   H6        3  C5L   H7*         2.171    3.257 
 &rst
  ixpk= 0, nxpk= 0, iat= 101,  -1, r1= 1.67, r2= 2.17, r3= 3.26, r4= 3.76,
 igr2= 104, 105, 106,
 &end
#
# 15  C5L   H6        15  C5L   H7*         2.171    3.257 
 &rst
  ixpk= 0, nxpk= 0, iat= 613,  -1, r1= 1.67, r2= 2.17, r3= 3.26, r4= 3.76,
 igr2= 616, 617, 618,
 &end
#
# 3  C5L   H6        4  G48   H8          3.183    4.775 
 &rst
  ixpk= 0, nxpk= 0, iat= 101, 145, r1= 2.68, r2= 3.18, r3= 4.78, r4= 5.28,  &end
#
# 15  C5L   H6        16  G48   H8          3.183    4.775 
 &rst
  ixpk= 0, nxpk= 0, iat= 613, 657, r1= 2.68, r2= 3.18, r3= 4.78, r4= 5.28,  &end
#
# 4  G48   H1'       4  G48   H2'         2.180    3.270 
 &rst
  ixpk= 0, nxpk= 0, iat= 142, 161, r1= 1.68, r2= 2.18, r3= 3.27, r4= 3.77,  &end
#
# 16  G48   H1'       16  G48   H2'         2.180    3.270 
 &rst
  ixpk= 0, nxpk= 0, iat= 654, 673, r1= 1.68, r2= 2.18, r3= 3.27, r4= 3.77,  &end
#
# 4  G48   H1'       5  A44   H8          3.406    5.109 
 &rst
  ixpk= 0, nxpk= 0, iat= 142, 189, r1= 2.91, r2= 3.41, r3= 5.11, r4= 5.61,  &end
#
# 16  G48   H1'       17  A44   H8          3.406    5.109 
 &rst
  ixpk= 0, nxpk= 0, iat= 654, 701, r1= 2.91, r2= 3.41, r3= 5.11, r4= 5.61,  &end
#
# 4  G48   H8        3  C5L   H1'         3.320    4.979 
 &rst
  ixpk= 0, nxpk= 0, iat= 145,  98, r1= 2.82, r2= 3.32, r3= 4.98, r4= 5.48,  &end
#
# 16  G48   H8        15  C5L   H1'         3.320    4.979 
 &rst
  ixpk= 0, nxpk= 0, iat= 657, 610, r1= 2.82, r2= 3.32, r3= 4.98, r4= 5.48,  &end
#
# 4  G48   H8        3  C5L   H7*         3.765    5.648 
 &rst
  ixpk= 0, nxpk= 0, iat= 145,  -1, r1= 3.27, r2= 3.77, r3= 5.65, r4= 6.15,
 igr2= 104, 105, 106,
 &end
#
# 16  G48   H8        15  C5L   H7*         3.765    5.648 
 &rst
  ixpk= 0, nxpk= 0, iat= 657,  -1, r1= 3.27, r2= 3.77, r3= 5.65, r4= 6.15,
 igr2= 616, 617, 618,
 &end
#
# 4  G48   H8        4  G48   H1'         3.111    4.666 
 &rst
  ixpk= 0, nxpk= 0, iat= 145, 142, r1= 2.61, r2= 3.11, r3= 4.67, r4= 5.17,  &end
#
# 16  G48   H8        16  G48   H1'         3.111    4.666 
 &rst
  ixpk= 0, nxpk= 0, iat= 657, 654, r1= 2.61, r2= 3.11, r3= 4.67, r4= 5.17,  &end
#
# 4  G48   H8        4  G48   H2'         2.237    3.356 
 &rst
  ixpk= 0, nxpk= 0, iat= 145, 161, r1= 1.74, r2= 2.24, r3= 3.36, r4= 3.86,  &end
#
# 16  G48   H8        16  G48   H2'         2.237    3.356 
 &rst
  ixpk= 0, nxpk= 0, iat= 657, 673, r1= 1.74, r2= 2.24, r3= 3.36, r4= 3.86,  &end
#
# 4  G48   H8        4  G48   H3'         2.320    3.480 
 &rst
  ixpk= 0, nxpk= 0, iat= 145, 159, r1= 1.82, r2= 2.32, r3= 3.48, r4= 3.98,  &end
#
# 16  G48   H8        16  G48   H3'         2.320    3.480 
 &rst
  ixpk= 0, nxpk= 0, iat= 657, 671, r1= 1.82, r2= 2.32, r3= 3.48, r4= 3.98,  &end
#
# 5  A44   H1'       4  G48   H1'         3.466    5.199 
 &rst
  ixpk= 0, nxpk= 0, iat= 186, 142, r1= 2.97, r2= 3.47, r3= 5.20, r4= 5.70,  &end
#
# 17  A44   H1'       16  G48   H1'         3.466    5.199 
 &rst
  ixpk= 0, nxpk= 0, iat= 698, 654, r1= 2.97, r2= 3.47, r3= 5.20, r4= 5.70,  &end
#
# 5  A44   H1'       5  A44   H2          3.212    4.818 
 &rst
  ixpk= 0, nxpk= 0, iat= 186, 198, r1= 2.71, r2= 3.21, r3= 4.82, r4= 5.32,  &end
#
# 17  A44   H1'       17  A44   H2          3.212    4.818 
 &rst
  ixpk= 0, nxpk= 0, iat= 698, 710, r1= 2.71, r2= 3.21, r3= 4.82, r4= 5.32,  &end
#
# 5  A44   H1'       5  A44   H2'         2.254    3.382 
 &rst
  ixpk= 0, nxpk= 0, iat= 186, 204, r1= 1.75, r2= 2.25, r3= 3.38, r4= 3.88,  &end
#
# 17  A44   H1'       17  A44   H2'         2.254    3.382 
 &rst
  ixpk= 0, nxpk= 0, iat= 698, 716, r1= 1.75, r2= 2.25, r3= 3.38, r4= 3.88,  &end
#
# 5  A44   H1'       6  A44   H8          3.314    4.971 
 &rst
  ixpk= 0, nxpk= 0, iat= 186, 232, r1= 2.81, r2= 3.31, r3= 4.97, r4= 5.47,  &end
#
# 17  A44   H1'       18  A44   H8          3.314    4.971 
 &rst
  ixpk= 0, nxpk= 0, iat= 698, 744, r1= 2.81, r2= 3.31, r3= 4.97, r4= 5.47,  &end
#
# 5  A44   H2        6  A44   H1'         2.547    3.820 
 &rst
  ixpk= 0, nxpk= 0, iat= 198, 229, r1= 2.05, r2= 2.55, r3= 3.82, r4= 4.32,  &end
#
# 17  A44   H2        18  A44   H1'         2.547    3.820 
 &rst
  ixpk= 0, nxpk= 0, iat= 710, 741, r1= 2.05, r2= 2.55, r3= 3.82, r4= 4.32,  &end
#
# 5  A44   H2        21  C5L   H1'         2.764    4.146 
 &rst
  ixpk= 0, nxpk= 0, iat= 198, 870, r1= 2.26, r2= 2.76, r3= 4.15, r4= 4.65,  &end
#
# 17  A44   H2        9  C5L   H1'         2.764    4.146 
 &rst
  ixpk= 0, nxpk= 0, iat= 710, 358, r1= 2.26, r2= 2.76, r3= 4.15, r4= 4.65,  &end
#
# 5  A44   H2        21  C5L   H7*         4.222    6.000 
 &rst
  ixpk= 0, nxpk= 0, iat= 198,  -1, r1= 3.72, r2= 4.22, r3= 6.00, r4= 6.50,
 igr2= 876, 877, 878,
 &end
#
# 17  A44   H2        9  C5L   H7*         4.222    6.000 
 &rst
  ixpk= 0, nxpk= 0, iat= 710,  -1, r1= 3.72, r2= 4.22, r3= 6.00, r4= 6.50,
 igr2= 364, 365, 366,
 &end
#
# 5  A44   H3'       5  A44   H8          2.422    3.633 
 &rst
  ixpk= 0, nxpk= 0, iat= 202, 189, r1= 1.92, r2= 2.42, r3= 3.63, r4= 4.13,  &end
#
# 17  A44   H3'       17  A44   H8          2.422    3.633 
 &rst
  ixpk= 0, nxpk= 0, iat= 714, 701, r1= 1.92, r2= 2.42, r3= 3.63, r4= 4.13,  &end
#
# 5  A44   H3'       6  A44   H8          2.838    4.257 
 &rst
  ixpk= 0, nxpk= 0, iat= 202, 232, r1= 2.34, r2= 2.84, r3= 4.26, r4= 4.76,  &end
#
# 17  A44   H3'       18  A44   H8          2.838    4.257 
 &rst
  ixpk= 0, nxpk= 0, iat= 714, 744, r1= 2.34, r2= 2.84, r3= 4.26, r4= 4.76,  &end
#
# 5  A44   H8        4  G48   H2'         2.133    3.200 
 &rst
  ixpk= 0, nxpk= 0, iat= 189, 161, r1= 1.63, r2= 2.13, r3= 3.20, r4= 3.70,  &end
#
# 17  A44   H8        16  G48   H2'         2.133    3.200 
 &rst
  ixpk= 0, nxpk= 0, iat= 701, 673, r1= 1.63, r2= 2.13, r3= 3.20, r4= 3.70,  &end
#
# 5  A44   H8        4  G48   H8          3.666    5.499 
 &rst
  ixpk= 0, nxpk= 0, iat= 189, 145, r1= 3.17, r2= 3.67, r3= 5.50, r4= 6.00,  &end
#
# 17  A44   H8        16  G48   H8          3.666    5.499 
 &rst
  ixpk= 0, nxpk= 0, iat= 701, 657, r1= 3.17, r2= 3.67, r3= 5.50, r4= 6.00,  &end
#
# 5  A44   H8        5  A44   H1'         3.076    4.613 
 &rst
  ixpk= 0, nxpk= 0, iat= 189, 186, r1= 2.58, r2= 3.08, r3= 4.61, r4= 5.11,  &end
#
# 17  A44   H8        17  A44   H1'         3.076    4.613 
 &rst
  ixpk= 0, nxpk= 0, iat= 701, 698, r1= 2.58, r2= 3.08, r3= 4.61, r4= 5.11,  &end
#
# 5  A44   H8        6  A44   H8          3.602    5.403 
 &rst
  ixpk= 0, nxpk= 0, iat= 189, 232, r1= 3.10, r2= 3.60, r3= 5.40, r4= 5.90,  &end
#
# 17  A44   H8        18  A44   H8          3.602    5.403 
 &rst
  ixpk= 0, nxpk= 0, iat= 701, 744, r1= 3.10, r2= 3.60, r3= 5.40, r4= 5.90,  &end
#
# 6  A44   H1'       6  A44   H2          3.815    5.722 
 &rst
  ixpk= 0, nxpk= 0, iat= 229, 241, r1= 3.32, r2= 3.82, r3= 5.72, r4= 6.22,  &end
#
# 18  A44   H1'       18  A44   H2          3.815    5.722 
 &rst
  ixpk= 0, nxpk= 0, iat= 741, 753, r1= 3.32, r2= 3.82, r3= 5.72, r4= 6.22,  &end
#
# 6  A44   H1'       6  A44   H2'         2.273    3.409 
 &rst
  ixpk= 0, nxpk= 0, iat= 229, 247, r1= 1.77, r2= 2.27, r3= 3.41, r4= 3.91,  &end
#
# 18  A44   H1'       18  A44   H2'         2.273    3.409 
 &rst
  ixpk= 0, nxpk= 0, iat= 741, 759, r1= 1.77, r2= 2.27, r3= 3.41, r4= 3.91,  &end
#
# 6  A44   H1'       7  T39   H1'         3.706    5.559 
 &rst
  ixpk= 0, nxpk= 0, iat= 229, 272, r1= 3.21, r2= 3.71, r3= 5.56, r4= 6.06,  &end
#
# 18  A44   H1'       19  T39   H1'         3.706    5.559 
 &rst
  ixpk= 0, nxpk= 0, iat= 741, 784, r1= 3.21, r2= 3.71, r3= 5.56, r4= 6.06,  &end
#
# 6  A44   H1'       7  T39   H7*         3.620    5.430 
 &rst
  ixpk= 0, nxpk= 0, iat= 229,  -1, r1= 3.12, r2= 3.62, r3= 5.43, r4= 5.93,
 igr2= 278, 279, 280,
 &end
#
# 18  A44   H1'       19  T39   H7*         3.620    5.430 
 &rst
  ixpk= 0, nxpk= 0, iat= 741,  -1, r1= 3.12, r2= 3.62, r3= 5.43, r4= 5.93,
 igr2= 790, 791, 792,
 &end
#
# 6  A44   H2'       7  T39   H7*         2.593    3.890 
 &rst
  ixpk= 0, nxpk= 0, iat= 247,  -1, r1= 2.09, r2= 2.59, r3= 3.89, r4= 4.39,
 igr2= 278, 279, 280,
 &end
#
# 18  A44   H2'       19  T39   H7*         2.593    3.890 
 &rst
  ixpk= 0, nxpk= 0, iat= 759,  -1, r1= 2.09, r2= 2.59, r3= 3.89, r4= 4.39,
 igr2= 790, 791, 792,
 &end
#
# 6  A44   H3'       6  A44   H8          2.241    3.361 
 &rst
  ixpk= 0, nxpk= 0, iat= 245, 232, r1= 1.74, r2= 2.24, r3= 3.36, r4= 3.86,  &end
#
# 18  A44   H3'       18  A44   H8          2.241    3.361 
 &rst
  ixpk= 0, nxpk= 0, iat= 757, 744, r1= 1.74, r2= 2.24, r3= 3.36, r4= 3.86,  &end
#
# 6  A44   H3'       7  T39   H6          2.555    3.833 
 &rst
  ixpk= 0, nxpk= 0, iat= 245, 275, r1= 2.06, r2= 2.56, r3= 3.83, r4= 4.33,  &end
#
# 18  A44   H3'       19  T39   H6          2.555    3.833 
 &rst
  ixpk= 0, nxpk= 0, iat= 757, 787, r1= 2.06, r2= 2.56, r3= 3.83, r4= 4.33,  &end
#
# 6  A44   H3'       7  T39   H7*         2.283    3.425 
 &rst
  ixpk= 0, nxpk= 0, iat= 245,  -1, r1= 1.78, r2= 2.28, r3= 3.43, r4= 3.93,
 igr2= 278, 279, 280,
 &end
#
# 18  A44   H3'       19  T39   H7*         2.283    3.425 
 &rst
  ixpk= 0, nxpk= 0, iat= 757,  -1, r1= 1.78, r2= 2.28, r3= 3.43, r4= 3.93,
 igr2= 790, 791, 792,
 &end
#
# 6  A44   H8        5  A44   H2'         2.248    3.371 
 &rst
  ixpk= 0, nxpk= 0, iat= 232, 204, r1= 1.75, r2= 2.25, r3= 3.37, r4= 3.87,  &end
#
# 18  A44   H8        17  A44   H2'         2.248    3.371 
 &rst
  ixpk= 0, nxpk= 0, iat= 744, 716, r1= 1.75, r2= 2.25, r3= 3.37, r4= 3.87,  &end
#
# 6  A44   H8        6  A44   H1'         2.841    4.262 
 &rst
  ixpk= 0, nxpk= 0, iat= 232, 229, r1= 2.34, r2= 2.84, r3= 4.26, r4= 4.76,  &end
#
# 18  A44   H8        18  A44   H1'         2.841    4.262 
 &rst
  ixpk= 0, nxpk= 0, iat= 744, 741, r1= 2.34, r2= 2.84, r3= 4.26, r4= 4.76,  &end
#
# 6  A44   H8        6  A44   H2'         2.715    4.072 
 &rst
  ixpk= 0, nxpk= 0, iat= 232, 247, r1= 2.21, r2= 2.71, r3= 4.07, r4= 4.57,  &end
#
# 18  A44   H8        18  A44   H2'         2.715    4.072 
 &rst
  ixpk= 0, nxpk= 0, iat= 744, 759, r1= 2.21, r2= 2.71, r3= 4.07, r4= 4.57,  &end
#
# 6  A44   H8        7  T39   H6          2.615    3.923 
 &rst
  ixpk= 0, nxpk= 0, iat= 232, 275, r1= 2.12, r2= 2.62, r3= 3.92, r4= 4.42,  &end
#
# 18  A44   H8        19  T39   H6          2.615    3.923 
 &rst
  ixpk= 0, nxpk= 0, iat= 744, 787, r1= 2.12, r2= 2.62, r3= 3.92, r4= 4.42,  &end
#
# 6  A44   H8        7  T39   H7*         2.802    4.204 
 &rst
  ixpk= 0, nxpk= 0, iat= 232,  -1, r1= 2.30, r2= 2.80, r3= 4.20, r4= 4.70,
 igr2= 278, 279, 280,
 &end
#
# 18  A44   H8        19  T39   H7*         2.802    4.204 
 &rst
  ixpk= 0, nxpk= 0, iat= 744,  -1, r1= 2.30, r2= 2.80, r3= 4.20, r4= 4.70,
 igr2= 790, 791, 792,
 &end
#
# 7  T39   H1'       8  T39   H7*         3.517    5.276 
 &rst
  ixpk= 0, nxpk= 0, iat= 272,  -1, r1= 3.02, r2= 3.52, r3= 5.28, r4= 5.78,
 igr2= 321, 322, 323,
 &end
#
# 19  T39   H1'       20  T39   H7*         3.517    5.276 
 &rst
  ixpk= 0, nxpk= 0, iat= 784,  -1, r1= 3.02, r2= 3.52, r3= 5.28, r4= 5.78,
 igr2= 833, 834, 835,
 &end
#
# 7  T39   H2'       8  T39   H7*         2.559    3.839 
 &rst
  ixpk= 0, nxpk= 0, iat= 290,  -1, r1= 2.06, r2= 2.56, r3= 3.84, r4= 4.34,
 igr2= 321, 322, 323,
 &end
#
# 19  T39   H2'       20  T39   H7*         2.559    3.839 
 &rst
  ixpk= 0, nxpk= 0, iat= 802,  -1, r1= 2.06, r2= 2.56, r3= 3.84, r4= 4.34,
 igr2= 833, 834, 835,
 &end
#
# 7  T39   H3'       7  T39   H6          2.258    3.387 
 &rst
  ixpk= 0, nxpk= 0, iat= 288, 275, r1= 1.76, r2= 2.26, r3= 3.39, r4= 3.89,  &end
#
# 19  T39   H3'       19  T39   H6          2.258    3.387 
 &rst
  ixpk= 0, nxpk= 0, iat= 800, 787, r1= 1.76, r2= 2.26, r3= 3.39, r4= 3.89,  &end
#
# 7  T39   H3'       8  T39   H6          2.490    3.734 
 &rst
  ixpk= 0, nxpk= 0, iat= 288, 318, r1= 1.99, r2= 2.49, r3= 3.73, r4= 4.23,  &end
#
# 19  T39   H3'       20  T39   H6          2.490    3.734 
 &rst
  ixpk= 0, nxpk= 0, iat= 800, 830, r1= 1.99, r2= 2.49, r3= 3.73, r4= 4.23,  &end
#
# 7  T39   H3'       8  T39   H7*         2.436    3.654 
 &rst
  ixpk= 0, nxpk= 0, iat= 288,  -1, r1= 1.94, r2= 2.44, r3= 3.65, r4= 4.15,
 igr2= 321, 322, 323,
 &end
#
# 19  T39   H3'       20  T39   H7*         2.436    3.654 
 &rst
  ixpk= 0, nxpk= 0, iat= 800,  -1, r1= 1.94, r2= 2.44, r3= 3.65, r4= 4.15,
 igr2= 833, 834, 835,
 &end
#
# 7  T39   H6        6  A44   H1'         2.972    4.458 
 &rst
  ixpk= 0, nxpk= 0, iat= 275, 229, r1= 2.47, r2= 2.97, r3= 4.46, r4= 4.96,  &end
#
# 19  T39   H6        18  A44   H1'         2.972    4.458 
 &rst
  ixpk= 0, nxpk= 0, iat= 787, 741, r1= 2.47, r2= 2.97, r3= 4.46, r4= 4.96,  &end
#
# 7  T39   H6        6  A44   H2'         1.800    6.000 
 &rst
  ixpk= 0, nxpk= 0, iat= 275, 247, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 19  T39   H6        18  A44   H2'         1.800    6.000 
 &rst
  ixpk= 0, nxpk= 0, iat= 787, 759, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 7  T39   H6        7  T39   H1'         2.900    4.351 
 &rst
  ixpk= 0, nxpk= 0, iat= 275, 272, r1= 2.40, r2= 2.90, r3= 4.35, r4= 4.85,  &end
#
# 19  T39   H6        19  T39   H1'         2.900    4.351 
 &rst
  ixpk= 0, nxpk= 0, iat= 787, 784, r1= 2.40, r2= 2.90, r3= 4.35, r4= 4.85,  &end
#
# 7  T39   H6        7  T39   H7*         2.136    3.204 
 &rst
  ixpk= 0, nxpk= 0, iat= 275,  -1, r1= 1.64, r2= 2.14, r3= 3.20, r4= 3.70,
 igr2= 278, 279, 280,
 &end
#
# 19  T39   H6        19  T39   H7*         2.136    3.204 
 &rst
  ixpk= 0, nxpk= 0, iat= 787,  -1, r1= 1.64, r2= 2.14, r3= 3.20, r4= 3.70,
 igr2= 790, 791, 792,
 &end
#
# 7  T39   H6        8  T39   H7*         2.778    4.166 
 &rst
  ixpk= 0, nxpk= 0, iat= 275,  -1, r1= 2.28, r2= 2.78, r3= 4.17, r4= 4.67,
 igr2= 321, 322, 323,
 &end
#
# 19  T39   H6        20  T39   H7*         2.778    4.166 
 &rst
  ixpk= 0, nxpk= 0, iat= 787,  -1, r1= 2.28, r2= 2.78, r3= 4.17, r4= 4.67,
 igr2= 833, 834, 835,
 &end
#
# 8  T39   H1'       7  T39   H1'         2.428    3.642 
 &rst
  ixpk= 0, nxpk= 0, iat= 315, 272, r1= 1.93, r2= 2.43, r3= 3.64, r4= 4.14,  &end
#
# 20  T39   H1'       19  T39   H1'         2.428    3.642 
 &rst
  ixpk= 0, nxpk= 0, iat= 827, 784, r1= 1.93, r2= 2.43, r3= 3.64, r4= 4.14,  &end
#
# 8  T39   H1'       8  T39   H2'         2.146    3.218 
 &rst
  ixpk= 0, nxpk= 0, iat= 315, 333, r1= 1.65, r2= 2.15, r3= 3.22, r4= 3.72,  &end
#
# 20  T39   H1'       20  T39   H2'         2.146    3.218 
 &rst
  ixpk= 0, nxpk= 0, iat= 827, 845, r1= 1.65, r2= 2.15, r3= 3.22, r4= 3.72,  &end
#
# 8  T39   H1'       9  C5L   H1'         3.270    4.904 
 &rst
  ixpk= 0, nxpk= 0, iat= 315, 358, r1= 2.77, r2= 3.27, r3= 4.90, r4= 5.40,  &end
#
# 20  T39   H1'       21  C5L   H1'         3.270    4.904 
 &rst
  ixpk= 0, nxpk= 0, iat= 827, 870, r1= 2.77, r2= 3.27, r3= 4.90, r4= 5.40,  &end
#
# 8  T39   H1'       9  C5L   H6          3.160    4.741 
 &rst
  ixpk= 0, nxpk= 0, iat= 315, 361, r1= 2.66, r2= 3.16, r3= 4.74, r4= 5.24,  &end
#
# 20  T39   H1'       21  C5L   H6          3.160    4.741 
 &rst
  ixpk= 0, nxpk= 0, iat= 827, 873, r1= 2.66, r2= 3.16, r3= 4.74, r4= 5.24,  &end
#
# 8  T39   H1'       9  C5L   H7*         3.518    5.277 
 &rst
  ixpk= 0, nxpk= 0, iat= 315,  -1, r1= 3.02, r2= 3.52, r3= 5.28, r4= 5.78,
 igr2= 364, 365, 366,
 &end
#
# 20  T39   H1'       21  C5L   H7*         3.518    5.277 
 &rst
  ixpk= 0, nxpk= 0, iat= 827,  -1, r1= 3.02, r2= 3.52, r3= 5.28, r4= 5.78,
 igr2= 876, 877, 878,
 &end
#
# 8  T39   H2'       9  C5L   H7*         2.632    3.947 
 &rst
  ixpk= 0, nxpk= 0, iat= 333,  -1, r1= 2.13, r2= 2.63, r3= 3.95, r4= 4.45,
 igr2= 364, 365, 366,
 &end
#
# 20  T39   H2'       21  C5L   H7*         2.632    3.947 
 &rst
  ixpk= 0, nxpk= 0, iat= 845,  -1, r1= 2.13, r2= 2.63, r3= 3.95, r4= 4.45,
 igr2= 876, 877, 878,
 &end
#
# 8  T39   H3'       8  T39   H6          2.031    3.047 
 &rst
  ixpk= 0, nxpk= 0, iat= 331, 318, r1= 1.53, r2= 2.03, r3= 3.05, r4= 3.55,  &end
#
# 20  T39   H3'       21  T39   H6          2.031    3.047 
 &rst
  ixpk= 0, nxpk= 0, iat= 843, 873, r1= 1.53, r2= 2.03, r3= 3.05, r4= 3.55,  &end
#
# 8  T39   H3'       8  T39   H7*         1.800    6.000 
 &rst
  ixpk= 0, nxpk= 0, iat= 331,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 321, 322, 323,
 &end
#
# 20  T39   H3'       20  T39   H7*         1.800    6.000 
 &rst
  ixpk= 0, nxpk= 0, iat= 843,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 833, 834, 835,
 &end
#
# 8  T39   H3'       9  C5L   H6          2.283    3.424 
 &rst
  ixpk= 0, nxpk= 0, iat= 331, 361, r1= 1.78, r2= 2.28, r3= 3.42, r4= 3.92,  &end
#
# 20  T39   H3'       21  C5L   H6          2.283    3.424 
 &rst
  ixpk= 0, nxpk= 0, iat= 843, 873, r1= 1.78, r2= 2.28, r3= 3.42, r4= 3.92,  &end
#
# 8  T39   H3'       9  C5L   H7*         2.269    3.403 
 &rst
  ixpk= 0, nxpk= 0, iat= 331,  -1, r1= 1.77, r2= 2.27, r3= 3.40, r4= 3.90,
 igr2= 364, 365, 366,
 &end
#
# 20  T39   H3'       21  C5L   H7*         2.269    3.403 
 &rst
  ixpk= 0, nxpk= 0, iat= 843,  -1, r1= 1.77, r2= 2.27, r3= 3.40, r4= 3.90,
 igr2= 876, 877, 878,
 &end
#
# 8  T39   H6        7  T39   H2'         1.993    2.990 
 &rst
  ixpk= 0, nxpk= 0, iat= 318, 290, r1= 1.49, r2= 1.99, r3= 2.99, r4= 3.49,  &end
#
# 20  T39   H6        19  T39   H2'         1.993    2.990 
 &rst
  ixpk= 0, nxpk= 0, iat= 830, 802, r1= 1.49, r2= 1.99, r3= 2.99, r4= 3.49,  &end
#
# 8  T39   H6        8  T39   H7*         2.143    3.215 
 &rst
  ixpk= 0, nxpk= 0, iat= 318,  -1, r1= 1.64, r2= 2.14, r3= 3.22, r4= 3.72,
 igr2= 321, 322, 323,
 &end
#
# 20  T39   H6        20  T39   H7*         2.143    3.215 
 &rst
  ixpk= 0, nxpk= 0, iat= 830,  -1, r1= 1.64, r2= 2.14, r3= 3.22, r4= 3.72,
 igr2= 833, 834, 835,
 &end
#
# 8  T39   H6        9  C5L   H7*         2.689    4.033 
 &rst
  ixpk= 0, nxpk= 0, iat= 318,  -1, r1= 2.19, r2= 2.69, r3= 4.03, r4= 4.53,
 igr2= 364, 365, 366,
 &end
#
# 20  T39   H6        21  C5L   H7*         2.689    4.033 
 &rst
  ixpk= 0, nxpk= 0, iat= 830,  -1, r1= 2.19, r2= 2.69, r3= 4.03, r4= 4.53,
 igr2= 876, 877, 878,
 &end
#
# 8  T39   H7*       7  T39   H7*         2.326    3.489 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.83, r2= 2.33, r3= 3.49, r4= 3.99,
 igr1= 321, 322, 323,
 igr2= 278, 279, 280,
 &end
#
# 20  T39   H7*       19  T39   H7*         2.326    3.489 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.83, r2= 2.33, r3= 3.49, r4= 3.99,
 igr1= 833, 834, 835,
 igr2= 790, 791, 792,
 &end
#
# 9  C5L   H3'       9  C5L   H6          2.191    3.286 
 &rst
  ixpk= 0, nxpk= 0, iat= 375, 361, r1= 1.69, r2= 2.19, r3= 3.29, r4= 3.79,  &end
#
# 21  C5L   H3'       21  C5L   H6          2.191    3.286 
 &rst
  ixpk= 0, nxpk= 0, iat= 887, 873, r1= 1.69, r2= 2.19, r3= 3.29, r4= 3.79,  &end
#
# 9  C5L   H6        10  G48   H8         3.448    5.172 
 &rst
  ixpk= 0, nxpk= 0, iat= 361, 405, r1= 2.95, r2= 3.45, r3= 5.17, r4= 5.67,  &end
#
# 21  C5L   H6        22  G48   H8         3.448    5.172 
 &rst
  ixpk= 0, nxpk= 0, iat= 873, 917, r1= 2.95, r2= 3.45, r3= 5.17, r4= 5.67,  &end
#
# 9  C5L   H6        8  T39   H2'         2.089    3.134 
 &rst
  ixpk= 0, nxpk= 0, iat= 361, 333, r1= 1.59, r2= 2.09, r3= 3.13, r4= 3.63,  &end
#
# 21  C5L   H6        20  T39   H2'         2.089    3.134 
 &rst
  ixpk= 0, nxpk= 0, iat= 873, 845, r1= 1.59, r2= 2.09, r3= 3.13, r4= 3.63,  &end
#
# 9  C5L   H6        8  T39   H6          2.455    3.683 
 &rst
  ixpk= 0, nxpk= 0, iat= 361, 318, r1= 1.95, r2= 2.45, r3= 3.68, r4= 4.18,  &end
#
# 21  C5L   H6        20  T39   H6          2.455    3.683 
 &rst
  ixpk= 0, nxpk= 0, iat= 873, 830, r1= 1.95, r2= 2.45, r3= 3.68, r4= 4.18,  &end
#
# 9  C5L   H6        8  T39   H7*         3.347    5.021 
 &rst
  ixpk= 0, nxpk= 0, iat= 361,  -1, r1= 2.85, r2= 3.35, r3= 5.02, r4= 5.52,
 igr2= 321, 322, 323,
 &end
#
# 21  C5L   H6        20  T39   H7*         3.347    5.021 
 &rst
  ixpk= 0, nxpk= 0, iat= 873,  -1, r1= 2.85, r2= 3.35, r3= 5.02, r4= 5.52,
 igr2= 833, 834, 835,
 &end
#
# 9  C5L   H6        9  C5L   H1'         3.012    4.519 
 &rst
  ixpk= 0, nxpk= 0, iat= 361, 358, r1= 2.51, r2= 3.01, r3= 4.52, r4= 5.02,  &end
#
# 21  C5L   H6        21  C5L   H1'         3.012    4.519 
 &rst
  ixpk= 0, nxpk= 0, iat= 873, 870, r1= 2.51, r2= 3.01, r3= 4.52, r4= 5.02,  &end
#
# 9  C5L   H6        9  C5L   H7*         2.174    3.261 
 &rst
  ixpk= 0, nxpk= 0, iat= 361,  -1, r1= 1.67, r2= 2.17, r3= 3.26, r4= 3.76,
 igr2= 364, 365, 366,
 &end
#
# 21  C5L   H6        21  C5L   H7*         2.174    3.261 
 &rst
  ixpk= 0, nxpk= 0, iat= 873,  -1, r1= 1.67, r2= 2.17, r3= 3.26, r4= 3.76,
 igr2= 876, 877, 878,
 &end
#
# 9  C5L   H7*       8  T39   H7*         2.143    3.215
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.64, r2= 2.14, r3= 3.22, r4= 3.72,
 igr1= 364, 365, 366,
 igr2= 321, 322, 323,
 &end
#
# 21  C5L   H7*       20  T39   H7*         2.143    3.215
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.64, r2= 2.14, r3= 3.22, r4= 3.72,
 igr1= 876, 877, 878,
 igr2= 833, 834, 835,
 &end
#
# 10  G48   H1'      10  G48   H2'        1.800    6.000 
 &rst
  ixpk= 0, nxpk= 0, iat= 402, 421, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 22  G48   H1'      22  G48   H2'        1.800    6.000 
 &rst
  ixpk= 0, nxpk= 0, iat= 914, 933, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 10  G48   H1'      11  C5L   H7*        3.721    5.582 
 &rst
  ixpk= 0, nxpk= 0, iat= 402,  -1, r1= 3.22, r2= 3.72, r3= 5.58, r4= 6.08,
 igr2= 452, 453, 454,
 &end
#
# 22  G48   H1'      23  C5L   H7*        3.721    5.582 
 &rst
  ixpk= 0, nxpk= 0, iat= 914,  -1, r1= 3.22, r2= 3.72, r3= 5.58, r4= 6.08,
 igr2= 964, 965, 966,
 &end
#
# 10  G48   H1'      11  G48   H1'        2.919    4.379 
 &rst
  ixpk= 0, nxpk= 0, iat= 402, 446, r1= 2.42, r2= 2.92, r3= 4.38, r4= 4.88,  &end
#
# 22  G48   H1'      23  G48   H1'        2.919    4.379 
 &rst
  ixpk= 0, nxpk= 0, iat= 914, 958, r1= 2.42, r2= 2.92, r3= 4.38, r4= 4.88,  &end
#
# 10  G48   H2'      11  C5L   H7*        2.671    4.006 
 &rst
  ixpk= 0, nxpk= 0, iat= 421,  -1, r1= 2.17, r2= 2.67, r3= 4.01, r4= 4.51,
 igr2= 452, 453, 454,
 &end
#
# 22  G48   H2'      23  C5L   H7*        2.671    4.006 
 &rst
  ixpk= 0, nxpk= 0, iat= 933,  -1, r1= 2.17, r2= 2.67, r3= 4.01, r4= 4.51,
 igr2= 964, 965, 966,
 &end
#
# 10  G48   H3'      11  C5L   H7*        2.194    3.291 
 &rst
  ixpk= 0, nxpk= 0, iat= 419,  -1, r1= 1.69, r2= 2.19, r3= 3.29, r4= 3.79,
 igr2= 452, 453, 454,
 &end
#
# 22  G48   H3'      23  C5L   H7*        2.194    3.291 
 &rst
  ixpk= 0, nxpk= 0, iat= 931,  -1, r1= 1.69, r2= 2.19, r3= 3.29, r4= 3.79,
 igr2= 964, 965, 966,
 &end
#
# 10  G48   H8       10  G48   H1'        3.183    4.775 
 &rst
  ixpk= 0, nxpk= 0, iat= 405, 402, r1= 2.68, r2= 3.18, r3= 4.78, r4= 5.28,  &end
#
# 22  G48   H8       22  G48   H1'        3.183    4.775 
 &rst
  ixpk= 0, nxpk= 0, iat= 917, 914, r1= 2.68, r2= 3.18, r3= 4.78, r4= 5.28,  &end
#
# 10  G48   H8       10  G48   H2'        2.751    4.127 
 &rst
  ixpk= 0, nxpk= 0, iat= 405, 421, r1= 2.25, r2= 2.75, r3= 4.13, r4= 4.63,  &end
#
# 22  G48   H8       22  G48   H2'        2.751    4.127 
 &rst
  ixpk= 0, nxpk= 0, iat= 917, 933, r1= 2.25, r2= 2.75, r3= 4.13, r4= 4.63,  &end
#
# 10  G48   H8       10  G48   H3'        1.800    6.000 
 &rst
  ixpk= 0, nxpk= 0, iat= 405, 419, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 22  G48   H8       22  G48   H3'        1.800    6.000 
 &rst
  ixpk= 0, nxpk= 0, iat= 917, 931, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 10  G48   H8       11  C5L   H6         3.270    4.904 
 &rst
  ixpk= 0, nxpk= 0, iat= 405, 449, r1= 2.77, r2= 3.27, r3= 4.90, r4= 5.40,  &end
#
# 22  G48   H8       23  C5L   H6         3.270    4.904 
 &rst
  ixpk= 0, nxpk= 0, iat= 917, 961, r1= 2.77, r2= 3.27, r3= 4.90, r4= 5.40,  &end
#
# 10  G48   H8       11  C5L   H7*        2.863    4.295 
 &rst
  ixpk= 0, nxpk= 0, iat= 405,  -1, r1= 2.36, r2= 2.86, r3= 4.30, r4= 4.80,
 igr2= 452, 453, 454,
 &end
#
# 22  G48   H8       23  C5L   H7*        2.863    4.295 
 &rst
  ixpk= 0, nxpk= 0, iat= 917,  -1, r1= 2.36, r2= 2.86, r3= 4.30, r4= 4.80,
 igr2= 964, 965, 966,
 &end
#
# 10  G48   H8       9  C5L   H1'         3.233    4.850 
 &rst
  ixpk= 0, nxpk= 0, iat= 405, 358, r1= 2.73, r2= 3.23, r3= 4.85, r4= 5.35,  &end
#
# 22  G48   H8       21  C5L   H1'         3.233    4.850 
 &rst
  ixpk= 0, nxpk= 0, iat= 917, 870, r1= 2.73, r2= 3.23, r3= 4.85, r4= 5.35,  &end
#
# 10  G48   H8       9  C5L   H2'         2.228    3.341 
 &rst
  ixpk= 0, nxpk= 0, iat= 405, 377, r1= 1.73, r2= 2.23, r3= 3.34, r4= 3.84,  &end
#
# 22  G48   H8       21  C5L   H2'         2.228    3.341 
 &rst
  ixpk= 0, nxpk= 0, iat= 917, 889, r1= 1.73, r2= 2.23, r3= 3.34, r4= 3.84,  &end
#
# 10  G48   H8       9  C5L   H3'         1.800    6.000 
 &rst
  ixpk= 0, nxpk= 0, iat= 405, 375, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 22  G48   H8       21  C5L   H3'         1.800    6.000 
 &rst
  ixpk= 0, nxpk= 0, iat= 917, 887, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 10  G48   H8       9  C5L   H7*         3.833    5.750 
 &rst
  ixpk= 0, nxpk= 0, iat= 405,  -1, r1= 3.33, r2= 3.83, r3= 5.75, r4= 6.25,
 igr2= 364, 365, 366,
 &end
#
# 22  G48   H8       21  C5L   H7*         3.833    5.750 
 &rst
  ixpk= 0, nxpk= 0, iat= 917,  -1, r1= 3.33, r2= 3.83, r3= 5.75, r4= 6.25,
 igr2= 876, 877, 878,
 &end
#
# 11  C5L   H6       10  G48   H1'        3.149    4.724 
 &rst
  ixpk= 0, nxpk= 0, iat= 449, 402, r1= 2.65, r2= 3.15, r3= 4.72, r4= 5.22,  &end
#
# 23  C5L   H6       22  G48   H1'        3.149    4.724 
 &rst
  ixpk= 0, nxpk= 0, iat= 961, 914, r1= 2.65, r2= 3.15, r3= 4.72, r4= 5.22,  &end
#
# 11  C5L   H6       10  G48   H2'        2.180    3.270 
 &rst
  ixpk= 0, nxpk= 0, iat= 449, 421, r1= 1.68, r2= 2.18, r3= 3.27, r4= 3.77,  &end
#
# 23  C5L   H6       22  G48   H2'        2.180    3.270 
 &rst
  ixpk= 0, nxpk= 0, iat= 961, 933, r1= 1.68, r2= 2.18, r3= 3.27, r4= 3.77,  &end
#
# 11  C5L   H6       11  C5L   H1'        2.967    4.450 
 &rst
  ixpk= 0, nxpk= 0, iat= 449, 446, r1= 2.47, r2= 2.97, r3= 4.45, r4= 4.95,  &end
#
# 23  C5L   H6       23  C5L   H1'        2.967    4.450 
 &rst
  ixpk= 0, nxpk= 0, iat= 961, 958, r1= 2.47, r2= 2.97, r3= 4.45, r4= 4.95,  &end
#
# 11  C5L   H6       11  C5L   H2'        2.563    3.844 
 &rst
  ixpk= 0, nxpk= 0, iat= 449, 465, r1= 2.06, r2= 2.56, r3= 3.84, r4= 4.34,  &end
#
# 23  C5L   H6       23  C5L   H2'        2.563    3.844 
 &rst
  ixpk= 0, nxpk= 0, iat= 961, 977, r1= 2.06, r2= 2.56, r3= 3.84, r4= 4.34,  &end
#
# 11  C5L   H6       11  C5L   H7*        2.194    3.291 
 &rst
  ixpk= 0, nxpk= 0, iat= 449,  -1, r1= 1.69, r2= 2.19, r3= 3.29, r4= 3.79,
 igr2= 452, 453, 454,
 &end
#
# 23  C5L   H6       23  C5L   H7*        2.194    3.291 
 &rst
  ixpk= 0, nxpk= 0, iat= 961,  -1, r1= 1.69, r2= 2.19, r3= 3.29, r4= 3.79,
 igr2= 964, 965, 966,
 &end
#
# 12  DG   H8       11  C5L   H2'        2.531    3.797 
 &rst
  ixpk= 0, nxpk= 0, iat= 493, 465, r1= 2.03, r2= 2.53, r3= 3.80, r4= 4.30,  &end
#
# 24  DG   H8       23  C5L   H2'        2.531    3.797 
 &rst
  ixpk= 0, nxpk= 0, iat=1005, 977, r1= 2.03, r2= 2.53, r3= 3.80, r4= 4.30,  &end
#
# 12  DG   H8       11  C5L   H7*        3.702    5.553 
 &rst
  ixpk= 0, nxpk= 0, iat= 493,  -1, r1= 3.20, r2= 3.70, r3= 5.55, r4= 6.05,
 igr2= 452, 453, 454,
 &end
#
# 24  DG   H8       23  C5L   H7*        3.702    5.553 
 &rst
  ixpk= 0, nxpk= 0, iat=1005,  -1, r1= 3.20, r2= 3.70, r3= 5.55, r4= 6.05,
 igr2= 964, 965, 966,
 &end
#
# 12  DG   H8       12  DG   H1'        3.336    5.003  
 &rst
  ixpk= 0, nxpk= 0, iat= 493, 490, r1= 2.84, r2= 3.34, r3= 5.00, r4= 5.50,  &end
#
# 24  DG   H8       24  DG   H1'        3.336    5.003  
 &rst
  ixpk= 0, nxpk= 0, iat=1005,1002, r1= 2.84, r2= 3.34, r3= 5.00, r4= 5.50,  &end
#
# 1  C5L  H1'       1  C5L  HCA*         2.031    3.047 
 &rst
  ixpk= 0, nxpk= 0, iat= 10,  -1, r1= 1.53, r2= 2.03, r3= 3.05, r4= 3.55,
 igr2= 40, 41, rk2=50.0, rk3=50.0, ir6=1, ialtd=0,
 &end
#
# 13  C5L  H1'       13  C5L  HCA*         2.031    3.047 
 &rst
  ixpk= 0, nxpk= 0, iat= 522,  -1, r1= 1.53, r2= 2.03, r3= 3.05, r4= 3.55,
 igr2= 552, 553,
 &end
#
# 2  G48   H1'       2  G48   HCA*         2.071    3.107 
 &rst
  ixpk= 0, nxpk= 0, iat= 54,  -1, r1= 1.57, r2= 2.07, r3= 3.11, r4= 3.61,
 igr2= 84, 85,
 &end
#
# 14  G48   H1'       14  G48   HCA*         2.071    3.107 
 &rst
  ixpk= 0, nxpk= 0, iat= 566,  -1, r1= 1.57, r2= 2.07, r3= 3.11, r4= 3.61,
 igr2= 596, 597,
 &end
#
# 3  C5L   H1'       3  C5L   HCA*         1.976    2.964 
 &rst
  ixpk= 0, nxpk= 0, iat= 98,  -1, r1= 1.48, r2= 1.98, r3= 2.96, r4= 3.46,
 igr2= 128, 129,
 &end
#
# 15  C5L   H1'       15  C5L   HCA*         1.976    2.964 
 &rst
  ixpk= 0, nxpk= 0, iat= 610,  -1, r1= 1.48, r2= 1.98, r3= 2.96, r4= 3.46,
 igr2= 640, 641,
 &end
#
# 4  G48   H1'       4  G48   HCA*         2.085    3.128 
 &rst
  ixpk= 0, nxpk= 0, iat= 142,  -1, r1= 1.58, r2= 2.08, r3= 3.13, r4= 3.63,
 igr2= 172, 173,
 &end
#
# 16  G48   H1'       16  G48   HCA*         2.085    3.128 
 &rst
  ixpk= 0, nxpk= 0, iat= 654,  -1, r1= 1.58, r2= 2.08, r3= 3.13, r4= 3.63,
 igr2= 684, 685,
 &end
#
# 1  C5L H1'  1  C5L HCD*           1.800    6.000
 &rst
  ixpk= 0, nxpk= 0, iat= 10,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 35, 36, 37,
 &end
# 13  C5L H1'  13  C5L HCD*            1.800    6.000
#  
 &rst
  ixpk= 0, nxpk= 0, iat= 522,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 547, 548, 549,
 &end
#
# 1  C5L HCD* 2  G48 H1'           1.800    6.000
 &rst
  ixpk= 0, nxpk= 0, iat= 54,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 35, 36, 37,
 &end
#
# 13  C5L HCD* 14  G48 H1'           1.800    6.000
 &rst
  ixpk= 0, nxpk= 0, iat= 566,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 547, 548, 549,
 &end
#
# 2  G48 H1'  2  G48 HCD*           1.800    6.000
 &rst
  ixpk= 0, nxpk= 0, iat= 54,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 79, 80, 81,
 &end
#
# 14  G48 H1'  14  G48 HCD*           1.800    6.000
 &rst
  ixpk= 0, nxpk= 0, iat= 566,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 591, 592, 593,
 &end
#
# 2  G48 HCD* 3  C5L H1'            1.800    6.000
 &rst
  ixpk= 0, nxpk= 0, iat= 98,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 79, 80, 81,
 &end
#
# 14  G48 HCD* 15  C5L H1'            1.800    6.000
 &rst
  ixpk= 0, nxpk= 0, iat= 610,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 591, 592, 593,
 &end
#
# 3  C5L H1'  3  C5L HCD*           1.800    6.000
 &rst
  ixpk= 0, nxpk= 0, iat= 98,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 123, 124, 125,
 &end
#
#  15  C5L H1'  15  C5L HCD*           1.800    6.000
 &rst
  ixpk= 0, nxpk= 0, iat= 610,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 635, 636, 637,
 &end
#
# 3  C5L HCD* 4  G48 H1'            1.800    6.000
 &rst
  ixpk= 0, nxpk= 0, iat= 142,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 123, 124, 125,
 &end
#
#  15  C5L HCD* 16  G48 H1'            1.800    6.000
 &rst
  ixpk= 0, nxpk= 0, iat= 654,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 635, 636, 637,
 &end
#
# 4  G48 H1'  4  G48 HCD*           1.800    6.000
 &rst
  ixpk= 0, nxpk= 0, iat= 142,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 167, 168, 169,
 &end
#
# 16  G48 H1'  16  G48 HCD*           1.800    6.000
 &rst
  ixpk= 0, nxpk= 0, iat= 654,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 679, 680, 681,
 &end
#
# 5  A44 H1'  5  A44 HCD*           1.800    6.000
 &rst
  ixpk= 0, nxpk= 0, iat= 186,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 210, 211, 212,
 &end
#
# 17  A44 H1'  17  A44 HCD*           1.800    6.000
 &rst
  ixpk= 0, nxpk= 0, iat= 698,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 722, 723, 724,
 &end
#
# 5  A44 HCD* 6  A44 H1'            1.800    6.000
 &rst
  ixpk= 0, nxpk= 0, iat= 229,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 210, 211, 212,
 &end
#
# 17  A44 HCD* 18  A44 H1'            1.800    6.000
 &rst
  ixpk= 0, nxpk= 0, iat= 741,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 722, 723, 724,
 &end
#
# 6  A44 H1'  6  A44 HCD*           1.800    6.000
 &rst
  ixpk= 0, nxpk= 0, iat= 229,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 253, 254, 255,
 &end
#
# 18  A44 H1'  18  A44 HCD*           1.800    6.000
 &rst
  ixpk= 0, nxpk= 0, iat= 741,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 765, 766, 767,
 &end
#
# 10  G48 H1'  10  G48 HCD*           1.800    6.000
 &rst
  ixpk= 0, nxpk= 0, iat= 402,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 427, 428, 429,
 &end
#
# 22  G48 H1'   22  G48 HCD*           1.800    6.000
 &rst
  ixpk= 0, nxpk= 0, iat= 914,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 939, 940, 941,
 &end
#
# 11  C5L H1'   11  C5L HCD*           1.800    6.000
 &rst
  ixpk= 0, nxpk= 0, iat= 446,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 471, 472, 473,
 &end
#
# 23  C5L H1'   23  C5L HCD*           1.800    6.000
 &rst
  ixpk= 0, nxpk= 0, iat= 958,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 983, 984, 985,
 &end
#
# 3  C5L H6  2  G48 HCA*           1.800    6.000
 &rst
  ixpk= 0, nxpk= 0, iat= 101,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 84, 85,
 &end
#
# 15  C5L H6  14  G48 HCA*           1.800    6.000
 &rst
  ixpk= 0, nxpk= 0, iat= 613,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 596, 597,
 &end
#
# 4  G48 H8  3  C5L HCA*           1.800    6.000
 &rst
  ixpk= 0, nxpk= 0, iat= 145,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 128, 129,
 &end
#
# 16  G48 H8  15  C5L HCA*           1.800    6.000
 &rst
  ixpk= 0, nxpk= 0, iat= 657,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 640, 641,
 &end
#
# 5  A44 H8  4  G48 HCA*           1.800    6.000
 &rst
  ixpk= 0, nxpk= 0, iat= 189,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 172, 173,
 &end
#
# 17  A44 H8  16  G48 HCA*           1.800    6.000
 &rst
  ixpk= 0, nxpk= 0, iat= 701,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 684, 685,
 &end
#
# 6  A44 H8  5  A44 HCA*           1.800    6.000
 &rst
  ixpk= 0, nxpk= 0, iat= 232,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 215, 216,
 &end
#
# 18  A44  H8  17  A44 HCA*           1.800    6.000
 &rst
  ixpk= 0, nxpk= 0, iat= 744,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 727, 728,
 &end
#
# 7  T39 H6  6  A44 HCA*           1.800    6.000
 &rst
  ixpk= 0, nxpk= 0, iat= 275,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 258, 259,
 &end
#
# 19  T39 H6  18  A44 HCA*           1.800    6.000
 &rst
  ixpk= 0, nxpk= 0, iat= 787,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 770, 771,
 &end
#
# 9  C5L H6  8  T39 HCA*           1.800    6.000
 &rst
  ixpk= 0, nxpk= 0, iat= 361,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 344, 345,
 &end
#
# 21  C5L H6  20  T39 HCA*           1.800    6.000
 &rst
  ixpk= 0, nxpk= 0, iat= 873,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 856, 857,
 &end
#
# 10  G48 H8  9  C5L HCA*           1.800    6.000
 &rst
  ixpk= 0, nxpk= 0, iat= 405,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 388, 389,
 &end
#
# 22  G48  H8  21  C5L HCA*           1.800    6.000
 &rst
  ixpk= 0, nxpk= 0, iat= 917,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 900, 901,
 &end
#
# 11  C5L H6  10  G48 HCA*           1.800    6.000
 &rst
  ixpk= 0, nxpk= 0, iat= 449,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 432, 433,
 &end
#
# 23  C5L H6  22  G48 HCA*           1.800    6.000
 &rst
  ixpk= 0, nxpk= 0, iat= 961,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 944, 945,
 &end
#
# 2  G48   H1        22  G48   H1         1.800    6.000   
 &rst
  ixpk= 0, nxpk= 0, iat=  63, 923, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, 
      rk2=50.0, rk3=50.0, ir6=1, ialtd=0,
 &end
#
# 14  G48   H1        10  G48   H1         1.800    6.000   
 &rst
  ixpk= 0, nxpk= 0, iat= 575, 411, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 7  T39   H3        8  T39   H3          1.800    6.000   
 &rst
  ixpk= 0, nxpk= 0, iat= 284, 327, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 19  T39   H3        20  T39   H3          1.800    6.000   
 &rst
  ixpk= 0, nxpk= 0, iat= 796, 839, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 20  T39  H3        4  G48   H1          1.800    6.000 
 &rst
  ixpk= 0, nxpk= 0, iat= 839, 151, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 8  T39  H3        16  G48   H1          1.800    6.000 
 &rst
  ixpk= 0, nxpk= 0, iat= 327, 663, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 10  G48  H1        16  G48   H1          1.800    6.000 
 &rst
  ixpk= 0, nxpk= 0, iat= 411, 663, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 22  G48  H1         4  G48   H1          1.800    6.000 
 &rst
  ixpk= 0, nxpk= 0, iat= 923, 151, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 19  T39   H3        5  A44   H2          1.800    6.000   
 &rst
  ixpk= 0, nxpk= 0, iat= 796, 198, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 7  T39   H3        17  A44   H2          1.800    6.000   
 &rst
  ixpk= 0, nxpk= 0, iat= 284, 710, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 7  T39   H3        17  A44   H61         1.800    6.000   
 &rst
  ixpk= 0, nxpk= 0, iat= 284, 706, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 19  T39   H3        5  A44   H61         1.800    6.000   
 &rst
  ixpk= 0, nxpk= 0, iat= 796, 194, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 7  T39   H3        6  A44   H2          1.800    6.000   
 &rst
  ixpk= 0, nxpk= 0, iat= 284, 241, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 19  T39   H3        18  A44   H2          1.800    6.000   
 &rst
  ixpk= 0, nxpk= 0, iat= 796, 753, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 19  T39   H3        6  A44   H2          1.800    3.500   
 &rst
  ixpk= 0, nxpk= 0, iat= 796, 241, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 7  T39   H3        18  A44   H2          1.800    3.500   
 &rst
  ixpk= 0, nxpk= 0, iat= 284, 753, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 7  T39   H3        6  A44   H61         1.800    6.000   
 &rst
  ixpk= 0, nxpk= 0, iat= 284, 237, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 19  T39   H3        18  A44   H61         1.800    6.000   
 &rst
  ixpk= 0, nxpk= 0, iat= 796, 749, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 19  T39   H3        6  A44   H61         1.800    3.500   
 &rst
  ixpk= 0, nxpk= 0, iat= 796, 237, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 7  T39   H3        18  A44   H61         1.800    3.500   
 &rst
  ixpk= 0, nxpk= 0, iat= 284, 749, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 7  T39   H3        6  A44   H62         1.800    6.000   
 &rst
  ixpk= 0, nxpk= 0, iat= 284, 238, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 19  T39   H3        18  A44   H62         1.800    6.000   
 &rst
  ixpk= 0, nxpk= 0, iat= 796, 750, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 19  T39   H3        6  A44   H62         1.800    3.500   
 &rst
  ixpk= 0, nxpk= 0, iat= 796, 238, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 7  T39   H3        18  A44   H62         1.800    3.500   
 &rst
  ixpk= 0, nxpk= 0, iat= 284, 750, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 7  T39   H3        7  T39   H1'         1.800    6.000   
 &rst
  ixpk= 0, nxpk= 0, iat= 284, 272, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 19  T39   H3        19  T39   H1'         1.800    6.000   
 &rst
  ixpk= 0, nxpk= 0, iat= 796, 784, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 7  T39   H3        8  T39   H1'         1.800    6.000   
 &rst
  ixpk= 0, nxpk= 0, iat= 284, 315, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 19  T39   H3        20  T39   H1'         1.800    6.000   
 &rst
  ixpk= 0, nxpk= 0, iat= 796, 827, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 7  T39   H3        8  T39   H6          1.800    6.000   
 &rst
  ixpk= 0, nxpk= 0, iat= 284, 318, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 19  T39   H3        20  T39   H6          1.800    6.000   
 &rst
  ixpk= 0, nxpk= 0, iat= 796, 830, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 7  T39   H3        8  T39   H7*         1.800    3.500
 &rst
  ixpk= 0, nxpk= 0, iat= 284,  -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr2= 321, 322, 323,
 &end
#
# 19  T39   H3        20  T39   H7*         1.800    3.500
 &rst
  ixpk= 0, nxpk= 0, iat= 796,  -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr2= 833, 834, 835,
 &end
#
# 8  T39   H3        17  A44   H2          1.800    3.500 
 &rst
  ixpk= 0, nxpk= 0, iat= 327, 710, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 20  T39   H3        5  A44   H2          1.800    3.500 
 &rst
  ixpk= 0, nxpk= 0, iat= 839, 198, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 8  T39   H3        17  A44   H61         1.800    3.500   
 &rst
  ixpk= 0, nxpk= 0, iat= 327, 706, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 20  T39   H3        5  A44   H61         1.800    3.500   
 &rst
  ixpk= 0, nxpk= 0, iat= 839, 194, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 8  T39   H3        17  A44   H62         1.800    3.500   
 &rst
  ixpk= 0, nxpk= 0, iat= 327, 707, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 20  T39   H3        5  A44   H62         1.800    3.500   
 &rst
  ixpk= 0, nxpk= 0, iat= 839, 195, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 8  T39   H3        18  A44   H2          1.800    3.500   
 &rst
  ixpk= 0, nxpk= 0, iat= 327, 753, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 20  T39   H3        6  A44   H2          1.800    3.500
 &rst
  ixpk= 0, nxpk= 0, iat= 839, 241, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 8  T39   H3        18  A44   H1'         1.800    6.000   
 &rst
  ixpk= 0, nxpk= 0, iat= 327, 741, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 20  T39   H3        6  A44   H1'         1.800    6.000   
 &rst
  ixpk= 0, nxpk= 0, iat= 839, 229, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 8  T39   H3        18  A44   H61         1.800    6.000   
 &rst
  ixpk= 0, nxpk= 0, iat= 327, 749, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 20  T39   H3        6  A44   H61         1.800    6.000   
 &rst
  ixpk= 0, nxpk= 0, iat= 839, 237, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 8  T39   H3        8  T39   H1'         1.800    6.000   
 &rst
  ixpk= 0, nxpk= 0, iat= 327, 315, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 20  T39   H3        20  T39   H1'         1.800    6.000   
 &rst
  ixpk= 0, nxpk= 0, iat= 839, 827, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 8  T39   H3        9  C5L   H1'         1.800    6.000   
 &rst
  ixpk= 0, nxpk= 0, iat= 327, 358, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 20  T39   H3        21  C5L   H1'         1.800    6.000   
 &rst
  ixpk= 0, nxpk= 0, iat= 839, 870, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 8  T39   H3        9  C5L   H41         1.800    6.000   
 &rst
  ixpk= 0, nxpk= 0, iat= 327, 369, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 20  T39   H3        21  C5L   H41         1.800    6.000   
 &rst
  ixpk= 0, nxpk= 0, iat= 839, 881, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 8  T39   H3        9  C5L   H42         1.800    6.000   
 &rst
  ixpk= 0, nxpk= 0, iat= 327, 370, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 20  T39   H3        21  C5L   H42         1.800    6.000   
 &rst
  ixpk= 0, nxpk= 0, iat= 839, 882, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 8  T39   H3        9  C5L   H7*         1.800    6.000   
 &rst
  ixpk= 0, nxpk= 0, iat= 327,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 364, 365, 366,
 &end
#
# 20  T39   H3        21  C5L   H7*         1.800    6.000   
 &rst
  ixpk= 0, nxpk= 0, iat= 839,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 876, 877, 878,
 &end
#
# 2  G48   H1        23  C5L   H41        1.800    3.500   
 &rst
  ixpk= 0, nxpk= 0, iat=  63, 969, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 14  G48   H1       11  C5L   H41        1.800    3.500   
 &rst
  ixpk= 0, nxpk= 0, iat= 575, 457, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 2  G48   H1        23  C5L   H42        1.800    3.500  
 &rst
  ixpk= 0, nxpk= 0, iat=  63, 970, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 14  G48   H1        11  C5L   H42        1.800    3.500  
 &rst
  ixpk= 0, nxpk= 0, iat= 575, 458, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 2  G48   H1        24  DG   H1'        1.800    6.000   
 &rst
  ixpk= 0, nxpk= 0, iat=  63,1002, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 14  G48   H1        12  DG   H1'        1.800    6.000   
 &rst
  ixpk= 0, nxpk= 0, iat= 575, 490, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 2  G48   H1        2  G48   H1'         1.800    6.000   
 &rst
  ixpk= 0, nxpk= 0, iat=  63,  54, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 14  G48   H1        14  G48   H1'         1.800    6.000   
 &rst
  ixpk= 0, nxpk= 0, iat= 575, 566, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 2  G48   H1        3  C5L   H1'         1.800    6.000   
 &rst
  ixpk= 0, nxpk= 0, iat=  63,  98, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 14  G48   H1        15  C5L   H1'         1.800    6.000   
 &rst
  ixpk= 0, nxpk= 0, iat= 575, 610, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 2  G48   H1        3  C5L   H7*         1.800    6.000   
 &rst
  ixpk= 0, nxpk= 0, iat=  63,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 104, 105, 106,
 &end
#
# 14  G48   H1        15  C5L   H7*         1.800    6.000   
 &rst
  ixpk= 0, nxpk= 0, iat= 575,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 616, 617, 618,
 &end
#
# 12  DG  H8        14  G48   H1          1.800    6.000   
 &rst
  ixpk= 0, nxpk= 0, iat= 493, 575, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 24  DG  H8        2  G48   H1          1.800    6.000   
 &rst
  ixpk= 0, nxpk= 0, iat=1005,  63, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 2  G48   H1        23  C5L   H1'        1.800    6.000   
 &rst
  ixpk= 0, nxpk= 0, iat=  63, 958, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 14  G48   H1        11  C5L   H1'        1.800    6.000   
 &rst
  ixpk= 0, nxpk= 0, iat= 575, 446, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 10  G48   H1       11  C5L   H1'        1.800    6.000   
 &rst
  ixpk= 0, nxpk= 0, iat= 411, 446, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 22  G48   H1       23  C5L   H1'        1.800    6.000   
 &rst
  ixpk= 0, nxpk= 0, iat= 923, 958, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 10  G48   H1       11  C5L   H6        1.800    6.000   
 &rst
  ixpk= 0, nxpk= 0, iat= 411, 449, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 22  G48   H1       23  C5L   H6        1.800    6.000   
 &rst
  ixpk= 0, nxpk= 0, iat= 923, 961, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 22  G48   H1       3  C5L   H41         1.800    3.500   
 &rst
  ixpk= 0, nxpk= 0, iat= 923, 109, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 10  G48   H1       15  C5L   H41         1.800    3.500 
 &rst
  ixpk= 0, nxpk= 0, iat= 411, 621, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 22  G48   H1       3  C5L   H42         1.800    3.500   
 &rst
  ixpk= 0, nxpk= 0, iat= 923, 110, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 10  G48   H1       15  C5L   H42         1.800    3.500   
 &rst
  ixpk= 0, nxpk= 0, iat= 411, 622, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 22  G48   H1       4  G48   H1'         1.800    3.500   
 &rst
  ixpk= 0, nxpk= 0, iat= 923, 142, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 10  G48   H1       16  G48   H1'         1.800    3.500   
 &rst
  ixpk= 0, nxpk= 0, iat= 411, 654, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 3  C5L   H1'       22  G48   H1         1.800    6.000   
 &rst
  ixpk= 0, nxpk= 0, iat=  98, 923, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 15  C5L   H1'       10  G48   H1         1.800    6.000   
 &rst
  ixpk= 0, nxpk= 0, iat= 610, 411, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 4  G48   H8        22  G48   H1         1.800    6.000   
 &rst
  ixpk= 0, nxpk= 0, iat= 145, 923, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 16  G48   H8        10  G48   H1         1.800    6.000   
 &rst
  ixpk= 0, nxpk= 0, iat= 657, 411, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 22  G48   H1       3  C5L   H2'          1.800    6.000   
 &rst
  ixpk= 0, nxpk= 0, iat= 923, 117, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 10  G48   H1       15  C5L   H2'          1.800    6.000   
 &rst
  ixpk= 0, nxpk= 0, iat= 411, 629, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 10  G48   H1       10  G48   H1'        1.800    6.000   
 &rst
  ixpk= 0, nxpk= 0, iat= 411, 402, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 22  G48   H1       22  G48   H1'        1.800    6.000   
 &rst
  ixpk= 0, nxpk= 0, iat= 923, 914, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 4  G48   H1        22  G48   H1'        1.800    3.500   
 &rst
  ixpk= 0, nxpk= 0, iat= 151, 914, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 16  G48   H1        10  G48   H1'        1.800    3.500   
 &rst
  ixpk= 0, nxpk= 0, iat= 663, 402, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 4  G48   H1        5  A44   H1'         1.800    6.000   
 &rst
  ixpk= 0, nxpk= 0, iat= 151, 186, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 16  G48   H1        17  A44   H1'         1.800    6.000   
 &rst
  ixpk= 0, nxpk= 0, iat= 663, 698, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 4  G48   H1        5  A44   H2          1.800    6.000   
 &rst
  ixpk= 0, nxpk= 0, iat= 151, 198, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 16  G48   H1        17  A44   H2          1.800    6.000   
 &rst
  ixpk= 0, nxpk= 0, iat= 663, 710, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 4  G48   H1        5  A44   H62         1.800    6.000   
 &rst
  ixpk= 0, nxpk= 0, iat= 151, 195, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 16  G48   H1        17  A44   H62         1.800    6.000   
 &rst
  ixpk= 0, nxpk= 0, iat= 663, 707, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 4  G48   H1        21  C5L   H1'         1.800    6.000   
 &rst
  ixpk= 0, nxpk= 0, iat= 151, 870, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 16  G48   H1        9  C5L   H1'         1.800    6.000   
 &rst
  ixpk= 0, nxpk= 0, iat= 663, 358, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 4  G48   H1        21  C5L   H41         1.800    3.500   
 &rst
  ixpk= 0, nxpk= 0, iat= 151, 881, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 16  G48   H1        9  C5L   H41         1.800    3.500   
 &rst
  ixpk= 0, nxpk= 0, iat= 663, 369, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 4  G48   H1        21  C5L   H42         1.800    3.500   
 &rst
  ixpk= 0, nxpk= 0, iat= 151, 882, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 16  G48   H1        9  C5L   H42         1.800    3.500   
 &rst
  ixpk= 0, nxpk= 0, iat= 663, 370, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 5  A44   H8        4  G48   H1          1.800    6.000   
 &rst
  ixpk= 0, nxpk= 0, iat= 189, 151, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 17  A44   H8        16  G48   H1          1.800    6.000   
 &rst
  ixpk= 0, nxpk= 0, iat= 701, 663, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 4  G48   H1        4  G48   H1'         1.800    6.000   
 &rst
  ixpk= 0, nxpk= 0, iat= 151, 142, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 16  G48   H1        16  G48   H1'         1.800    6.000
 &rst
  ixpk= 0, nxpk= 0, iat= 663, 654, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 4  G48   H1        22  G48   H8        1.800    6.000   
 &rst
  ixpk= 0, nxpk= 0, iat= 151, 917, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 16  G48   H1        10  G48   H8        1.800    6.000   
 &rst
  ixpk= 0, nxpk= 0, iat= 663, 405, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 9  C5L   H41       8  T39   H7*         1.800    6.000   
 &rst
  ixpk= 0, nxpk= 0, iat= 369,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 321, 322, 323,
 &end
#
# 21  C5L   H41       20  T39   H7*         1.800    6.000   
 &rst
  ixpk= 0, nxpk= 0, iat= 881,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 833, 834, 835,
 &end
#
# 9  C5L   H42       8  T39   H7*         1.800    6.000   
 &rst
  ixpk= 0, nxpk= 0, iat= 370,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 321, 322, 323,
 &end
#
# 21  C5L   H42       20  T39   H7*         1.800    6.000   
 &rst
  ixpk= 0, nxpk= 0, iat= 882,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 833, 834, 835,
 &end
#
# 9  C5L   H42       8  T39   H7*         1.800    6.000   
 &rst
  ixpk= 0, nxpk= 0, iat= 370,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 321, 322, 323,
 &end
#
# 21  C5L   H42       20  T39   H7*         1.800    6.000   
 &rst
  ixpk= 0, nxpk= 0, iat= 882,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 833, 834, 835,
 &end
#
# 5  A44   H62        21  C5L   H41         1.800    6.000   
 &rst
  ixpk= 0, nxpk= 0, iat= 195, 881, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 17  A44   H62        9  C5L   H41         1.800    6.000   
 &rst
  ixpk= 0, nxpk= 0, iat= 707, 369, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 5  A44   H2        21  C5L   H42         1.800    6.000   
 &rst
  ixpk= 0, nxpk= 0, iat= 198, 882, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 17  A44   H2        9  C5L   H42         1.800    6.000   
 &rst
  ixpk= 0, nxpk= 0, iat= 710, 370, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 12  DG   H8       11  C5L   H41        1.800    6.000 
 &rst
  ixpk= 0, nxpk= 0, iat= 493, 457, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 24  DG   H8       23  C5L   H41        1.800    6.000 
 &rst
  ixpk= 0, nxpk= 0, iat=1005, 969, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 4  G48   H8        3  C5L   H41        1.800    6.000 
 &rst
  ixpk= 0, nxpk= 0, iat= 145, 109, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 16  G48   H8       15  C5L   H41        1.800    6.000 
 &rst
  ixpk= 0, nxpk= 0, iat= 657, 621, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 6  A44   H61       19  T39   H7*         1.800    6.000   
 &rst
  ixpk= 0, nxpk= 0, iat= 237,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 790, 791, 792,
 &end
#
# 18  A44   H61       7  T39   H7*         1.800    6.000   
 &rst
  ixpk= 0, nxpk= 0, iat= 749,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 278, 279, 280,
 &end
#
# 6  A44   H61       20  T39   H7*         1.800    6.000   
 &rst
  ixpk= 0, nxpk= 0, iat= 237,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 833, 834, 835,
 &end
#
# 18  A44   H61       8  T39   H7*         1.800    6.000   
 &rst
  ixpk= 0, nxpk= 0, iat= 749,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 321, 322, 323,
 &end
##


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